Acolbifene

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Properties Simple | Detailed

Formula C29H31NO4
IUPAC Name (2s)-3-(4-hydroxyphenyl)-4-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2h-chromen-7-ol
Molecular Mass 457.561 g·mol−1
Heat of Formation -422.0 ± 16.7 kJ·mol−1
Dipole Moment 1.91 ± 1.08 D
Volume 560.38 Å 3
Surface Area 470.36 Å 2
HOMO Energy -8.45 ± 0.55 eV
LUMO Energy 2.78 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-3-(4-hydroxyphenyl)-4-methyl-2-(4-(2-piperidin-1-yl-ethoxy)phenyl)-2h-chromen-7-ol
  • (2s)-3-(4-hydroxyphenyl)-4-methyl-2-[4-(2-piperidinoethoxy)phenyl]-2h-chromen-7-ol
  • (2s)-3-(4-hydroxyphenyl)-4-methyl-2-[4-[2-(1-piperidyl)ethoxy]phenyl]-2h-chromen-7-ol
  • 2h-1-benzopyran-7-ol, 3-(4-hydroxyphenyl)-4-methyl-2-(4-(2-(1-piperidinyl)ethoxy)phenyl)-, (2s)
  • em 652
  • em-652
  • sch 57068
  • sch57068
CAS Number(s)
  • 182167-04-0
InChIKey DUYNJNWVGIWJRI-LJAQVGFWSA-N
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